oxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate

C14H22N2O3 — CID 61309823

IUPACoxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OCC1CCCCO1
InChIInChI=1S/C14H22N2O3/c1-2-6-16-9-11(15)8-13(16)14(17)19-10-12-5-3-4-7-18-12/h8-9,12H,2-7,10,15H2,1H3
InChIKeyGRKRUYOKZYCWMH-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.21
Rot. Bonds5

About oxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate

oxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate (PubChem CID 61309823) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is oxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate
PubChem CID61309823
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameoxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OCC1CCCCO1
InChIInChI=1S/C14H22N2O3/c1-2-6-16-9-11(15)8-13(16)14(17)19-10-12-5-3-4-7-18-12/h8-9,12H,2-7,10,15H2,1H3
InChIKeyGRKRUYOKZYCWMH-UHFFFAOYSA-N
XLogP2.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

oxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate
CID 62383490
methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate
CID 61293123
oxan-2-ylmethyl 3-amino-4-methylbenzoate
CID 60730857
butyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61310196
2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid
CID 61316436
oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate
CID 65355547
oxan-2-ylmethyl 3-amino-4-fluorobenzoate
CID 61279862
4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide
CID 43642114
(4-bromophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61315860
(3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate
CID 61315296
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
cyclopentylmethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 114611828

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate?
The IUPAC name of oxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate (CID 61309823) is oxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate.
What is the SMILES notation for oxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate?
The canonical SMILES for oxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate is CCCn1cc(N)cc1C(=O)OCC1CCCCO1.
What is the InChIKey of oxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate?
The InChIKey is GRKRUYOKZYCWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-6-16-9-11(15)8-13(16)14(17)19-10-12-5-3-4-7-18-12/h8-9,12H,2-7,10,15H2,1H3.
What are the key properties of oxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate?
oxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate is sourced from PubChem (CID 61309823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).